2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol

C12H17N5OS — CID 143440070

IUPAC2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
SMILESNc1cc(N2CCCC2)nc2c(SCCO)cnn12
InChIInChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2
InChIKeyYMNLTHRMTGTBKA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.00
Rot. Bonds4

About 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol

2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol (PubChem CID 143440070) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
PubChem CID143440070
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
SMILESNc1cc(N2CCCC2)nc2c(SCCO)cnn12
InChIInChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2
InChIKeyYMNLTHRMTGTBKA-UHFFFAOYSA-N
XLogP1.00
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The IUPAC name of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol (CID 143440070) is 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol.
What is the SMILES notation for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The canonical SMILES for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol is Nc1cc(N2CCCC2)nc2c(SCCO)cnn12.
What is the InChIKey of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The InChIKey is YMNLTHRMTGTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2.
What are the key properties of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol has a molecular weight of 279.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol is sourced from PubChem (CID 143440070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).